How Long to Read Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map

How Long Does it Take to Read Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map?

It takes the average reader 2 hours and 4 minutes to read Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map by Takuro Tsutsumi

Assuming a reading speed of 250 words per minute. Learn more

Description

This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyze chemical reaction mechanisms by combining the reaction route map and the ab initio molecular dynamics. The key concept for the proposed tools is the Cartesian distance between pairwise molecular structures, and a practical procedure to get the optimal distance is introduced. The on-the-fly trajectory mapping method tracks the distance function between reference structures and molecular structures along the trajectory. Although this method provides fruitful insight into dynamic reaction behaviors, the visualization of reaction routes into a low-dimensional space is still challenging because of the multi-dimensionality. ReSPer successfully constructs a low-dimensional reaction space defined by mathematically-selected principal coordinates representing mutual distance relationships in the full-dimensional space. ReSPer also enables us to project trajectories into the reaction space in the reduced dimension. In this thesis, these methods are applied to several reactions, including bifurcating and photochemical reactions, revealing dynamically-allowed reaction mechanisms. This thesis provides robust and versatile tools to elucidate dynamical reaction routes on the basis of the reduced-dimensionality reaction route map and will help control chemical reaction dynamics and select descriptors for machine learning.

How long is Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map?

Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map by Takuro Tsutsumi is 123 pages long, and a total of 31,119 words.

This makes it 42% the length of the average book. It also has 38% more words than the average book.

How Long Does it Take to Read Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map Aloud?

The average oral reading speed is 183 words per minute. This means it takes 2 hours and 50 minutes to read Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map aloud.

What Reading Level is Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map?

Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map is suitable for students ages 10 and up.

Note that there may be other factors that effect this rating besides length that are not factored in on this page. This may include things like complex language or sensitive topics not suitable for students of certain ages.

When deciding what to show young students always use your best judgement and consult a professional.

Where Can I Buy Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map?

Ab Initio Molecular Dynamics Analysis Based on Reduced-Dimensionality Reaction Route Map by Takuro Tsutsumi is sold by several retailers and bookshops. However, Read Time works with Amazon to provide an easier way to purchase books.

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